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A residue, Phe221 or Thr310, which allowed the rigid steroid core to bind in the conserved manner observed in the crystal structures, was treated as flexible during the docking for the steroidal AIs.
The selective BK pore blocker iberiotoxin could fully abolish the enhancement of these two BK subtypes induced by martentoxin, suggesting that the auxiliary β subunit might contribute to the docking for martentoxin.
Results of the docking for nine DUD datasets were evaluated using AuPosSOM clustering followed by scoring with the scoring function developed in this study.
Therefore we calculate the theoretical PRE profiles based on all 30,000 low energy structures obtained by the docking for each position of the paramagnetic label (blue lines in Figure 2).
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Best to stay out of the dock for a while.
They should be in the dock for dangerous driving.
Pickets prevented chemotherapy chemicals leaving the docks for hospitals.
But with the Vattenfall case, Germany found itself in the dock for the first time.
6 mornings a week they would to down to the docks for the stevedore rollcall.
Helen is in the dock for the attempted murder of her controlling husband, Rob.
Now, it is in the dock for burning the flag, metaphorically of course.
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Justyna Jupowicz-Kozak
CEO of Professional Science Editing for Scientists @ prosciediting.com